phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C23H21NO3 — CID 2490463

IUPACphenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESC[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccccc3)c2C1
InChIInChI=1S/C23H21NO3/c1-15-11-12-20-18(13-15)22(17-9-5-6-10-19(17)24-20)23(26)27-14-21(25)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/t15-/m0/s1
InChIKeyXEOFSYVICQNMRH-HNNXBMFYSA-N
MW359.43 g/mol
LogP4.40
Rot. Bonds4

About phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2490463) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Namephenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2490463
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namephenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESC[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccccc3)c2C1
InChIInChI=1S/C23H21NO3/c1-15-11-12-20-18(13-15)22(17-9-5-6-10-19(17)24-20)23(26)27-14-21(25)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/t15-/m0/s1
InChIKeyXEOFSYVICQNMRH-HNNXBMFYSA-N
XLogP4.40
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3622744
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4023812
[2-(N-methylanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2434648
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2102887
[2-oxo-2-(propylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599503
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2696059
[2-(N-ethylanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 5192327
[2-(methylcarbamoylamino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2631999
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139142
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2652513

Frequently Asked Questions

What is the IUPAC name of phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2490463) is phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccccc3)c2C1.
What is the InChIKey of phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is XEOFSYVICQNMRH-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-15-11-12-20-18(13-15)22(17-9-5-6-10-19(17)24-20)23(26)27-14-21(25)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/t15-/m0/s1.
What are the key properties of phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2490463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).